morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate

C10H16N2O2S4 — CID 14934764

IUPACmorpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate
SMILESS=C(SSC(=S)C1CNCCO1)C1CNCCO1
InChIInChI=1S/C10H16N2O2S4/c15-9(7-5-11-1-3-13-7)17-18-10(16)8-6-12-2-4-14-8/h7-8,11-12H,1-6H2
InChIKeyPRDIYEWDBMXFKH-UHFFFAOYSA-N
MW324.52 g/mol
LogP1.00
Rot. Bonds2

About morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate

morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate (PubChem CID 14934764) has the molecular formula C10H16N2O2S4 and a molecular weight of 324.52 g/mol. Its IUPAC name is morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate.

Molecular Properties

Compound Namemorpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate
PubChem CID14934764
Molecular FormulaC10H16N2O2S4
Molecular Weight324.52 g/mol
Exact Mass324.01
IUPAC Namemorpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate
SMILESS=C(SSC(=S)C1CNCCO1)C1CNCCO1
InChIInChI=1S/C10H16N2O2S4/c15-9(7-5-11-1-3-13-7)17-18-10(16)8-6-12-2-4-14-8/h7-8,11-12H,1-6H2
InChIKeyPRDIYEWDBMXFKH-UHFFFAOYSA-N
XLogP1.00
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[4-(morpholine-2-carbothioyldisulfanyl)phenyl]sulfanyl morpholine-2-carbodithioate
CID 88839027
[1-(morpholine-2-carbothioyldisulfanyl)cyclohexyl]sulfanyl morpholine-2-carbodithioate
CID 88840092
[2,2-dimethyl-3,3,3-tris(morpholine-2-carbothioyldisulfanyl)propyl]sulfanyl morpholine-2-carbodithioate
CID 88840604
2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477
(2R)-morpholine-2-carboxamide
CID 51600069
ethane;morpholine-2-carboxylic acid
CID 170608685
ethane;1-morpholin-2-ylethanone
CID 143224838
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride
CID 172639710

Frequently Asked Questions

What is the IUPAC name of morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate?
The IUPAC name of morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate (CID 14934764) is morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate.
What is the SMILES notation for morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate?
The canonical SMILES for morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate is S=C(SSC(=S)C1CNCCO1)C1CNCCO1.
What is the InChIKey of morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate?
The InChIKey is PRDIYEWDBMXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S4/c15-9(7-5-11-1-3-13-7)17-18-10(16)8-6-12-2-4-14-8/h7-8,11-12H,1-6H2.
What are the key properties of morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate?
morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate has a molecular weight of 324.52 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2-carbothioylsulfanyl morpholine-2-carbodithioate is sourced from PubChem (CID 14934764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).